0 B11R1.12 CC=C(C=O)C1=CC=CC=C1 CNP0164159.0 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.12 CCC(CC)C1=CC=CC=C1 CNP0422788.0 [0,0,0,0,0,0|1,0,3]=4 2 B11R1.12 CCN(CC)C1=CC=CC=C1 CNP0287297.0 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.12 CC[NH+](CC)C1=CC=CC=C1 CNP0485521.0 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.12 COC(=NO)C1=CC=CC=C1 CNP0557037.0 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.12 COC(OC)C1=CC=CC=C1 CNP0042286.0 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.12 COP(OC)C1=CC=CC=C1 CNP0049160.0 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.12 CO[C@H](C#N)C1=CC=CC=C1 CNP0186304.1 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.12 CO[PH](OC)C1=CC=CC=C1 CNP0522233.0 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.12 N#CC(=CCl)C1=CC=CC=C1 CNP0261686.0 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [1,0,0,0,0,0|0,0,2]=3 11 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [1,0,0,0,0,0|0,0,0]=1 12 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [1,0,0,0,0,0|0,0,1]=2 13 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [1,0,0,0,0,0|0,0,1]=2 14 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,0,0,0,0,0|0,0,3]=4 15 B10R1.15 C=C[S@+]([O-])C1=CC=CC=C1 CNP0518074.1 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.15 C=C[S@H+]([O-])C1=CC=CC=C1 CNP0479535.1 [1,0,0,0,0,0|1,0,2]=4 17 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,0,0,0,0,0|0,0,1]=2 20 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,0,0,0,0,0|0,0,1]=2 22 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,0,0,0,0,0|0,0,1]=2 23 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [1,0,0,0,0,0|0,0,3]=4 25 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,0,0,0,0,0|0,0,3]=4 27 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [1,0,0,0,0,0|1,0,2]=4 28 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,0,0,0,0,0|1,0,2]=4 37 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [1,0,0,0,0,0|1,0,2]=4 39 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,0,0,0,0,0|0,0,3]=4 40 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [1,0,0,0,0,0|1,0,2]=4 42 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [1,0,0,0,0,0|1,0,1]=3 43 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [1,0,0,0,0,0|1,0,1]=3 45 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.15 NNC(=O)C1=CC=CC=N1 CNP0280058.0 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.15 NNC(=O)C1=CC=CN=C1 CNP0220603.0 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.15 NNC(=O)C1=CC=NC=C1 CNP0295499.0 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [1,0,0,0,0,0|1,0,1]=3 50 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [1,0,0,0,0,0|1,0,1]=3 51 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,0,0,0,0,0|1,0,1]=3 55 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [1,0,0,0,0,0|1,0,1]=3 56 B12R1.3 C=CC(CC=O)C1=CC=CC=C1 CNP0002677.0 [0,1,0,0,0,0|0,0,2]=3 57 B12R1.3 C=CCC(C=O)C1=CC=CC=C1 CNP0393554.0 [0,1,0,0,0,0|0,0,2]=3 58 B12R1.3 CC[C@@H](NC=O)C1=CC=CC=C1 CNP0538754.1 [0,1,0,0,0,0|0,0,2]=3 59 B12R1.3 O=CC(=CNO)C1=CC=CC=C1 CNP0028719.0 [0,1,0,0,0,0|1,0,0]=2 60 B12R1.3 O=CN[C@@H](CO)C1=CC=CC=C1 CNP0504966.1 [0,1,0,0,0,0|1,0,2]=4 61 B12R1.478 CC(=O)C(=CN)C1=CC=CC=C1 CNP0043428.0 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.478 CC(=O)[C@@H](C#N)C1=CC=CC=C1 CNP0076616.1 [0,1,0,0,0,0|1,0,2]=4 63 B12R1.478 CC(C)C(C=O)C1=CC=CC=C1 CNP0415741.0 [0,1,0,0,0,0|0,0,2]=3 64 B12R1.478 CC=C(C(=O)O)C1=CC=CC=C1 CNP0468782.0 [0,1,0,0,0,0|0,0,0]=1 65 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 CNP0569843.0 [0,1,0,0,0,0|0,0,2]=3 66 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 CNP0002389.1 [0,1,0,0,0,0|0,0,2]=3 67 B12R1.478 CC[C@H](C(=O)O)C1=CC=CC=C1 CNP0002389.2 [0,1,0,0,0,0|0,0,2]=3 68 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 CNP0318350.2 [0,1,0,0,0,0|1,0,1]=3 69 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CN=C1 CNP0487776.2 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.478 CN[C@H](C(=O)O)C1=CC=CC=C1 CNP0318350.1 [0,1,0,0,0,0|1,0,1]=3 71 B12R1.478 CN[C@H](C(=O)O)C1=CC=CN=C1 CNP0487776.1 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 CNP0291222.2 [0,1,0,0,0,0|1,0,1]=3 73 B12R1.478 CO[C@H](C(=O)Cl)C1=CC=CC=C1 CNP0251789.1 [0,1,0,0,0,0|1,0,1]=3 74 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 CNP0291222.1 [0,1,0,0,0,0|1,0,1]=3 75 B12R1.478 NC(=O)[C@@H](CO)C1=CC=CC=C1 CNP0503539.1 [0,1,0,0,0,0|1,0,2]=4 76 B12R1.478 O=C(O)[C@@H](CO)C1=CC=CC=C1 CNP0185259.1 [0,1,0,0,0,0|1,0,2]=4 77 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 CNP0185259.2 [0,1,0,0,0,0|1,0,2]=4 78 B12R2.1 CC=C1C=CC2=CC=CC=C12 CNP0565828.0 [0,0,0,1,0,0|1,0,0]=2 79 B12R2.1 CCC1=CNC2=CC=CC=C12 CNP0424454.0 [0,0,0,1,0,0|1,0,1]=3 80 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [0,0,0,1,0,0|2,0,0]=3 81 B12R2.1 N#CC1=CNC2=CC=CC=C12 CNP0266284.0 [0,0,0,1,0,0|2,0,1]=4 82 B12R2.1 NCC1=CNC2=CC=CC=C12 CNP0174270.0 [0,0,0,1,0,0|2,0,1]=4 83 B12R2.1 NN=C1CCC2=CC=CC=C12 CNP0078710.0 [0,0,0,1,0,0|2,0,1]=4 84 B12R2.1 O=CC1=C2C=CC=CC2=NN1 CNP0129572.0 [0,0,0,1,0,0|2,0,0]=3 85 B12R2.1 O=CC1=CC=C2C1=COC=C2 CNP0236522.0 [0,0,0,1,0,0|1,0,1]=3 86 B12R2.1 O=CC1=CNC2=CC=CC=C12 CNP0123546.0 [0,0,0,1,0,0|1,0,0]=2 87 B12R2.1 O=CC1=CNC2=NC=CC=C12 CNP0197893.0 [0,0,0,1,0,0|2,0,0]=3 88 B12R2.1 O=CC1=NNC2=CC=CC=C12 CNP0602039.0 [0,0,0,1,0,0|2,0,0]=3 89 B12R2.1 O=C[C@H]1CNC2=CC=CC=C12 CNP0195265.1 [0,0,0,1,0,0|1,0,2]=4 90 B12R2.1 O=NN1CCC2=CC=CC=C12 CNP0055308.0 [0,0,0,1,0,0|2,0,1]=4 91 B12R2.1 OCC1=CNC2=CC=CC=C12 CNP0106378.0 [0,0,0,1,0,0|1,0,2]=4 92 B12R2.2 C1=CC=C(C=C1)C2=CC=CO2 CNP0542507.0 [0,0,0,1,0,0|2,0,1]=4 93 B12R2.2 C1=CC=C(C=C1)C2=CN=CN2 CNP0534648.0 [0,0,0,1,0,0|2,0,1]=4 94 B12R2.2 C1=CC=C(C=C1)C2=CN=CS2 CNP0313698.0 [0,0,0,1,0,0|2,0,1]=4 95 B12R2.2 C1=CC=C(C=C1)C2=COC=C2 CNP0103654.0 [0,0,0,1,0,0|0,0,2]=3 96 B12R2.2 C1=CC=C(C=C1)C2=CON=C2 CNP0452957.0 [0,0,0,1,0,0|1,0,1]=3 97 B12R2.2 C1=CC=C(C=C1)C2=NCCC2 CNP0036375.0 [0,0,0,1,0,0|2,0,1]=4 98 B12R1.118 COC(=CC1=CC=CC=C1)C=O CNP0496622.0 [0,0,0,0,0,1|1,0,0]=2 99 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [2,0,0,0,0,0|0,0,0]=2 100 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [2,0,0,0,0,0|1,0,0]=3 101 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [2,0,0,0,0,0|0,0,0]=2 103 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [2,0,0,0,0,0|1,0,0]=3 104 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [2,0,0,0,0,0|1,0,0]=3 105 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [2,0,0,0,0,0|1,0,0]=3 106 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [2,0,0,0,0,0|0,0,2]=4 108 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [2,0,0,0,0,0|1,0,1]=4 109 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [2,0,0,0,0,0|1,0,1]=4 110 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [2,0,0,0,0,0|0,0,2]=4 111 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [2,0,0,0,0,0|1,0,1]=4 112 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [2,0,0,0,0,0|0,0,2]=4 113 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [2,0,0,0,0,0|1,0,1]=4 114 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [2,0,0,0,0,0|2,0,0]=4 115 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [2,0,0,0,0,0|1,0,0]=3 116 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [2,0,0,0,0,0|1,0,0]=3 123 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [2,0,0,0,0,0|1,0,0]=3 127 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [2,0,0,0,0,0|1,0,0]=3 128 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [2,0,0,0,0,0|1,0,0]=3 129 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [2,0,0,0,0,0|1,0,0]=3 130 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [2,0,0,0,0,0|0,0,2]=4 138 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [2,0,0,0,0,0|1,0,1]=4 139 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [2,0,0,0,0,0|1,0,1]=4 140 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [2,0,0,0,0,0|0,0,0]=2 141 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [2,0,0,0,0,0|1,0,0]=3 142 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [2,0,0,0,0,0|0,0,2]=4 144 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [2,0,0,0,0,0|1,0,1]=4 145 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [2,0,0,0,0,0|1,0,1]=4 146 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [2,0,0,0,0,0|1,0,1]=4 147 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [2,0,0,0,0,0|1,0,1]=4 148 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [2,0,0,0,0,0|1,0,1]=4 149 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [2,0,0,0,0,0|0,0,1]=3 151 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [2,0,0,0,0,0|1,0,0]=3 152 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [2,0,0,0,0,0|1,0,1]=4 155 B11R1.7 C=CC(C)(O)C1=CC=CC=C1 CNP0570138.0 [1,1,0,0,0,0|1,0,1]=4 156 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [1,1,0,0,0,0|0,0,1]=3 157 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [1,1,0,0,0,0|0,0,1]=3 158 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [1,1,0,0,0,0|0,0,1]=3 159 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [1,1,0,0,0,0|0,0,1]=3 160 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [1,1,0,0,0,0|0,1,1]=4 161 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [1,1,0,0,0,0|0,0,1]=3 162 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [1,1,0,0,0,0|1,0,1]=4 163 B11R1.16 CCOC(=O)C1=CC=CN=C1 CNP0104896.0 [1,1,0,0,0,0|1,0,1]=4 164 B11R1.16 CN(NC=O)C1=CC=CC=C1 CNP0145841.0 [1,1,0,0,0,0|1,0,0]=3 165 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [1,1,0,0,0,0|0,0,1]=3 166 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [1,1,0,0,0,0|0,0,1]=3 167 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [1,1,0,0,0,0|0,0,2]=4 168 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 CNP0536203.0 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.16 O=C(NCO)C1=CC=CN=C1 CNP0259715.0 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.16 O=CC=C(O)C1=CC=CC=C1 CNP0460454.0 [1,1,0,0,0,0|1,0,0]=3 171 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [1,1,0,0,0,0|0,0,1]=3 174 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [1,1,0,0,0,0|0,0,1]=3 175 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [1,1,0,0,0,0|0,0,1]=3 176 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.22 COC(=O)C1=COC(=O)C=C1 CNP0038303.0 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.22 NNC(=O)C1=CC=C(C=C1)Cl CNP0071039.0 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.22 NNC(=O)C1=CC=C(C=C1)O CNP0382573.0 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br CNP0218698.0 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [1,1,0,0,0,0|1,0,0]=3 187 B11R1.23 CNC(=O)C1=CC=CC(=C1)N CNP0065493.0 [1,1,0,0,0,0|1,0,0]=3 188 B11R1.23 COC(=O)C1=CC=CC(=C1)Br CNP0260377.0 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.23 COC(=O)C1=CC=CC(=C1)C CNP0189828.0 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.23 COC(=O)C1=CC=CC(=C1)N CNP0145729.0 [1,1,0,0,0,0|1,0,0]=3 191 B11R1.23 COC(=O)C1=CC=CC(=C1)O CNP0301417.0 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.23 NNC(=O)C1=CC=CC(=C1)Br CNP0017923.0 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.23 NNC(=O)C1=CC=CC(=C1)N CNP0088265.0 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.23 NNC(=O)C1=CC=CC(=C1)O CNP0218227.0 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [1,1,0,0,0,0|0,0,2]=4 196 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [1,1,0,0,0,0|0,0,0]=2 197 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 CNP0127365.0 [1,1,0,0,0,0|0,0,1]=3 198 B11R1.36 CC(C)C(=O)C1=CC=CC=N1 CNP0492975.0 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.36 CN(C)C(=S)C1=CC=CC=C1 CNP0071076.0 [1,1,0,0,0,0|1,1,0]=4 200 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [1,1,0,0,0,0|0,0,1]=3 201 B11R1.36 C[C@@H](N)C(=O)C1=CC=CC=C1 CNP0277529.2 [1,1,0,0,0,0|0,0,1]=3 202 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [1,1,0,0,0,0|0,0,1]=3 203 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 CNP0277529.1 [1,1,0,0,0,0|0,0,1]=3 204 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CNP0218836.2 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CNP0218836.1 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CNP0213891.1 [1,1,0,0,0,0|1,0,1]=4 208 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.36 O=C(C1=CC=CC=C1)C(O)O CNP0177704.0 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.222 CC(=NO)C1=CC=CC=C1N CNP0306135.0 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [1,1,0,0,0,0|0,0,1]=3 217 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [1,1,0,0,0,0|1,0,0]=3 218 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.222 COC(=O)C1=CN=CC=C1N CNP0157135.0 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.222 NNC(=O)C1=CC=CC=C1Cl CNP0255519.0 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.222 O=C(NO)C1=CC=CC=C1O CNP0106659.0 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.298 CC(=C(C=O)C1=CC=CO1)C CNP0137976.0 [0,1,0,0,1,0|1,0,0]=3 226 B13R1.79 CC[C@@H](CC1=CC=CC=C1)NC=O CNP0358452.2 [0,1,0,0,0,1|0,0,2]=4 227 B13R1.79 CC[C@H](CC1=CC=CC=C1)NC=O CNP0358452.1 [0,1,0,0,0,1|0,0,2]=4 228 B13R1.79 CSCC(=CC1=CC=CC=C1)C=O CNP0352550.0 [0,1,0,0,0,1|0,0,1]=3 229 B13R1.418 CC(=O)C(=CN)CC1=CC=CC=C1 CNP0043268.0 [0,1,0,0,0,1|1,0,0]=3 230 B13R1.418 CC(=O)[C@@H](C=O)CC1=CC=CC=C1 CNP0392217.1 [0,1,0,0,0,1|0,0,1]=3 231 B13R1.418 CC(=O)[C@H](C=O)CC1=CC=CC=C1 CNP0392217.2 [0,1,0,0,0,1|0,0,1]=3 232 B13R1.418 CCC(=CC1=CC=CC=C1)C(=O)O CNP0325742.0 [0,1,0,0,0,1|0,0,1]=3 233 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O CNP0187424.1 [0,1,0,0,0,1|1,0,1]=4 234 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O CNP0187424.2 [0,1,0,0,0,1|1,0,1]=4 235 B13R1.418 COC(=CC1=CC=CC=C1)C(=O)O CNP0540263.0 [0,1,0,0,0,1|1,0,0]=3 236 B13R1.418 CO[C@@H](CC1=CC=CC=C1)C(=O)O CNP0243391.2 [0,1,0,0,0,1|1,0,1]=4 237 B13R1.418 CO[C@H](CC1=CC=CC=C1)C(=O)O CNP0243391.1 [0,1,0,0,0,1|1,0,1]=4 238 B13R1.418 N#CC(=CC1=CC=CC=C1)C(=O)N CNP0128787.0 [0,1,0,0,0,1|1,0,1]=4 239 B13R1.418 NC(=O)C(=NO)CC1=CC=CC=C1 CNP0186138.0 [0,1,0,0,0,1|2,0,0]=4 240 B13R1.418 O=C(O)C(=NO)CC1=CC=CC=C1 CNP0272865.0 [0,1,0,0,0,1|2,0,0]=4 241 B13R1.26 COCOC(C=O)C1=CC=CC=C1 CNP0149378.0 [0,2,0,0,0,0|0,0,2]=4 242 B13R1.405 CCO[C@H](C(=O)O)C1=CC=CC=C1 CNP0224902.1 [0,2,0,0,0,0|0,0,2]=4 243 B13R1.532 CN[C@@H](C(=O)OC)C1=CC=CC=C1 CNP0061519.1 [0,2,0,0,0,0|1,0,1]=4 244 B13R1.532 CN[C@H](C(=O)OC)C1=CC=CC=C1 CNP0061519.2 [0,2,0,0,0,0|1,0,1]=4 245 B13R1.532 COC(=O)[C@@H](OC)C1=CC=CC=C1 CNP0274570.2 [0,2,0,0,0,0|1,0,1]=4 246 B13R1.532 COC(=O)[C@H](OC)C1=CC=CC=C1 CNP0274570.1 [0,2,0,0,0,0|1,0,1]=4 247 B13R1.713 CC(C)C=C(C=O)C1=CC=CC=C1 CNP0154099.0 [0,2,0,0,0,0|0,0,0]=2 248 B13R1.713 CCC(OC(=O)C)C1=CC=CC=C1 CNP0611641.0 [0,2,0,0,0,0|0,0,2]=4 249 B13R1.713 CC[C@@H](NC(=O)C)C1=CC=CC=C1 CNP0144225.2 [0,2,0,0,0,0|0,0,2]=4 250 B13R1.713 CC[C@H](NC(=O)C)C1=CC=CC=C1 CNP0144225.1 [0,2,0,0,0,0|0,0,2]=4 251 B13R1.706 CC=C(C(=O)O)C1=CC=C(C=C1)O CNP0187958.0 [0,2,0,0,0,0|0,0,0]=2 252 B13R1.706 CC[C@@H](C(=O)O)C1=CC=C(C=C1)C CNP0466112.1 [0,2,0,0,0,0|0,0,2]=4 253 B13R1.706 CC[C@H](C(=O)O)C1=CC=C(C=C1)C CNP0466112.2 [0,2,0,0,0,0|0,0,2]=4 254 B13R1.720 CN[C@@H](C(=O)O)C1=CC=CC=C1Cl CNP0521293.1 [0,2,0,0,0,0|1,0,1]=4 255 B13R1.720 CN[C@H](C(=O)O)C1=CC=CC=C1Cl CNP0521293.2 [0,2,0,0,0,0|1,0,1]=4 256 B13R1.3085 CCC(C)(C(=O)O)C1=CC=CC=C1 CNP0533880.0 [0,2,0,0,0,0|0,0,2]=4 257 B13R1.3085 CC[C@@](N)(C(=O)O)C1=CC=CC=C1 CNP0590389.1 [0,2,0,0,0,0|0,0,2]=4 258 B13R1.3085 CC[C@](N)(C(=O)O)C1=CC=CC=C1 CNP0590389.2 [0,2,0,0,0,0|0,0,2]=4 259 B13R1.3085 CN[C@@](C)(C(=O)O)C1=CC=CC=C1 CNP0554227.2 [0,2,0,0,0,0|1,0,1]=4 260 B13R1.3085 CN[C@](C)(C(=O)O)C1=CC=CC=C1 CNP0554227.1 [0,2,0,0,0,0|1,0,1]=4 261 B13R1.1111 O=C(O)C(C(=O)O)C1=CC=CC=C1 CNP0599080.0 [0,2,0,0,0,0|1,0,1]=4 262 B11R1.265 COC1=CC=CC(=C1C=O)C CNP0303374.0 [0,0,1,1,0,0|1,0,1]=4 263 B11R1.265 O=CC1=CC=CC(=C1C=O)O CNP0288393.0 [0,0,1,1,0,0|2,0,0]=4 264 B11R1.66 COC1=C(C=CC=CC1=O)O CNP0053010.0 [0,0,1,1,0,0|2,0,0]=4 265 B11R1.72 CC1=CC=C(C(=C1C)C=O)C CNP0300217.0 [0,0,1,1,0,0|0,0,2]=4 266 B11R1.84 CCC(=CC1=CC=CO1)C=O CNP0002698.0 [0,0,1,1,0,0|1,0,1]=4 267 B11R1.267 C=CC1=CC=CC(=C1O)OC CNP0519392.0 [0,0,1,1,0,0|1,0,1]=4 268 B11R1.267 O=CC1=CC=CC(=C1O)C=O CNP0062742.0 [0,0,1,1,0,0|2,0,0]=4 269 B11R1.381 COC1=CC=CC=C(C1=O)O CNP0345100.0 [0,0,1,1,0,0|2,0,0]=4 270 B11R2.1 BrC1=CNC2=CC=CC=C12 CNP0206140.0 [1,0,0,1,0,0|2,0,0]=4 271 B11R2.1 BrC1=CSC2=CC=CC=C12 CNP0467720.0 [1,0,0,1,0,0|1,1,0]=4 272 B11R2.1 C=C1C=CC2=CC=CC=C12 CNP0560850.0 [1,0,0,1,0,0|0,0,1]=3 273 B11R2.1 C=C1C=NC2=CC=CC=C12 CNP0049672.0 [1,0,0,1,0,0|1,0,0]=3 274 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [1,0,0,1,0,0|0,0,1]=3 275 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [1,0,0,1,0,0|1,0,0]=3 276 B11R2.1 CC1=CNC2=CC=CN=C12 CNP0018040.0 [1,0,0,1,0,0|2,0,0]=4 277 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [1,0,0,1,0,0|0,1,0]=3 278 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [1,0,0,1,0,0|1,0,1]=4 279 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [1,0,0,1,0,0|1,0,1]=4 280 B11R2.1 ClC1=CNC2=CC=CC=C12 CNP0395645.0 [1,0,0,1,0,0|2,0,0]=4 281 B11R2.1 NC1=CNC2=CC=CC=C12 CNP0109824.0 [1,0,0,1,0,0|2,0,0]=4 282 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [1,0,0,1,0,0|2,0,0]=4 283 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [1,0,0,1,0,0|2,0,0]=4 284 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [1,0,0,1,0,0|1,0,0]=3 285 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [1,0,0,1,0,0|0,0,1]=3 286 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [1,0,0,1,0,0|1,0,1]=4 287 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [1,0,0,1,0,0|1,0,1]=4 288 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [1,0,0,1,0,0|1,0,1]=4 289 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [1,0,0,1,0,0|1,0,0]=3 290 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [1,0,0,1,0,0|2,0,0]=4 291 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [1,0,0,1,0,0|1,0,0]=3 292 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [1,0,0,1,0,0|1,0,1]=4 293 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [1,0,0,1,0,0|1,0,1]=4 294 B11R2.54 O=C1C(=O)C2=CC=CC=C12 CNP0458247.0 [1,0,0,1,0,0|1,0,0]=3 295 B11R2.54 O=C1C2=CC=CC=C2[C@@H]1Cl CNP0371537.2 [1,0,0,1,0,0|1,0,1]=4 296 B11R2.54 O=C1C2=CC=CC=C2[C@H]1Cl CNP0371537.1 [1,0,0,1,0,0|1,0,1]=4 297 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [1,0,0,1,0,0|1,0,1]=4 298 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [1,0,0,1,0,0|1,0,1]=4 299 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [1,0,0,1,0,0|1,0,1]=4 300 B13R2.45 CC1=C(CC2=CC=CC=C12)C#N CNP0059900.0 [0,0,0,1,0,1|1,0,1]=4 301 B13R2.45 O=C1C(=CC2=CC=CC=C12)CO CNP0194849.0 [0,0,0,1,0,1|1,0,1]=4 302 B13R2.45 O=C1C(=NO)NC2=CC=CC=C12 CNP0275285.0 [0,0,0,1,0,1|2,0,0]=4 303 B13R2.45 O=CC1=C(N2C=CC=CC2=N1)Br CNP0024091.0 [0,0,0,1,0,1|2,0,0]=4 304 B13R2.57 C=CC1=CC=C2C=CC=CC2=C1 CNP0076873.0 [0,0,0,1,0,1|1,0,1]=4 305 B13R2.57 CCC1=CC=C2C=CC=CC2=C1 CNP0389841.0 [0,0,0,1,0,1|1,0,1]=4 306 B13R2.57 CCC1=CN=C2C=CC=CC2=N1 CNP0522044.0 [0,0,0,1,0,1|1,0,1]=4 307 B13R2.57 COC1=CC=C2C=CC=CC2=C1 CNP0110785.0 [0,0,0,1,0,1|2,0,0]=4 308 B13R2.57 O=CC1=CC2=CC=CC=C2OC1 CNP0376757.0 [0,0,0,1,0,1|1,0,1]=4 309 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 CNP0393707.0 [0,0,0,1,0,1|0,0,1]=3 310 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 CNP0375851.0 [0,0,0,1,0,1|1,0,1]=4 311 B13R2.1 CNCC1=CNC2=CC=CC=C12 CNP0083826.0 [0,1,0,1,0,0|1,0,1]=4 312 B13R2.1 NCCC1=CNC2=CC=CC=C12 CNP0329876.0 [0,1,0,1,0,0|1,0,1]=4 313 B13R2.1 O=CCC1=CNC2=CC=CC=C12 CNP0203676.0 [0,1,0,1,0,0|1,0,0]=3 314 B13R2.1 OCCC1=CNC2=CC=CC=C12 CNP0231418.0 [0,1,0,1,0,0|1,0,1]=4 315 B13R2.1 ON=CC1=CNC2=CC=CC=C12 CNP0070990.0 [0,1,0,1,0,0|1,0,1]=4 316 B13R2.3 C1=C(CCCC1)C2=CC=CC=C2 CNP0077019.0 [0,1,0,1,0,0|1,0,1]=4 317 B13R2.3 C1=CC=C(C=C1)C2=CC=CC=C2 CNP0153903.0 [0,1,0,1,0,0|1,0,1]=4 318 B13R2.3 C1=CC=C(C=C1)C2=CC=CC=N2 CNP0153884.0 [0,1,0,1,0,0|1,0,1]=4 319 B13R2.3 C1=CC=C(C=C1)C2=CC=CN=C2 CNP0398040.0 [0,1,0,1,0,0|1,0,1]=4 320 B13R2.3 C1=CC=C(C=C1)C2=CC=NC=C2 CNP0303887.0 [0,1,0,1,0,0|1,0,1]=4 321 B13R2.10 CN1C=NC(=C1)C2=CC=CC=C2 CNP0068270.0 [0,1,0,1,0,0|2,0,0]=4 322 B13R2.10 C[C@@H]1C=C(N=N1)C2=CC=CC=C2 CNP0053037.1 [0,1,0,1,0,0|2,0,0]=4 323 B13R2.10 C[C@H]1C=C(N=N1)C2=CC=CC=C2 CNP0053037.2 [0,1,0,1,0,0|2,0,0]=4 324 B13R2.10 NC1=NC(=CS1)C2=CC=CC=C2 CNP0595332.0 [0,1,0,1,0,0|1,1,0]=4 325 B13R2.10 NC1=[NH+]C(=CS1)C2=CC=CC=C2 CNP0554759.0 [0,1,0,1,0,0|1,1,0]=4 326 B13R2.10 O=C1C=C(CO1)C2=CC=CC=C2 CNP0352665.0 [0,1,0,1,0,0|1,0,1]=4 327 B13R2.10 O=C1CNC(=N1)C2=CC=CC=C2 CNP0040410.0 [0,1,0,1,0,0|1,0,0]=3 328 B13R2.10 O=C1CSC(=N1)C2=CC=CC=C2 CNP0049999.0 [0,1,0,1,0,0|1,0,0]=3 329 B13R2.15 CC1=CNC=C1C2=CC=CC=C2 CNP0158386.0 [0,1,0,1,0,0|1,0,0]=3 330 B13R2.15 NC1=C(C=NO1)C2=CC=CC=C2 CNP0233548.0 [0,1,0,1,0,0|1,0,1]=4 331 B13R2.15 O=C1CCC=C1C2=CC=CC=C2 CNP0587845.0 [0,1,0,1,0,0|0,0,0]=2 332 B13R2.1613 C=CC1=CC=CC2=CC=CC=C12 CNP0610151.0 [0,1,0,1,0,0|1,0,1]=4 333 B13R2.1613 COC1=CC=CC2=CC=CC=C12 CNP0299075.0 [0,1,0,1,0,0|2,0,0]=4 334 B13R2.1613 COC1=CC=NC2=CC=CC=C12 CNP0604679.0 [0,1,0,1,0,0|2,0,0]=4 335 B13R2.1613 COC1=NC=NC2=CC=CC=C12 CNP0260362.0 [0,1,0,1,0,0|2,0,0]=4 336 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 CNP0083426.0 [0,1,0,1,0,0|0,0,1]=3 337 B13R2.1613 O=CC1=CC=NC2=CC=CC=C12 CNP0294524.0 [0,1,0,1,0,0|0,0,1]=3 338 B13R2.1613 O=CN1CCCC2=CC=CC=C12 CNP0610512.0 [0,1,0,1,0,0|1,0,1]=4 339 B13R2.2931 CN1C=C(C2=CC=CC=C12)C#N CNP0018073.0 [0,1,0,1,0,0|1,0,1]=4 340 B13R2.2931 CN1C=C(C2=CC=CC=C12)C=O CNP0174507.0 [0,1,0,1,0,0|0,0,0]=2 341 B13R2.2931 CN1C=C(C2=CC=CC=C12)CN CNP0282705.0 [0,1,0,1,0,0|1,0,1]=4 342 B13R2.2931 COC1=CC(=O)C2=CN=CC=C12 CNP0324608.0 [0,1,0,1,0,0|2,0,0]=4 343 B13R2.2931 COC1=C[C@@H](C2=CC=CC=C12)C CNP0046972.1 [0,1,0,1,0,0|2,0,0]=4 344 B13R2.2931 COC1=C[C@H](C2=CC=CC=C12)C CNP0046972.2 [0,1,0,1,0,0|2,0,0]=4 345 B13R2.2931 CO[C@@H]1OC(=O)C2=CC=CC=C12 CNP0262154.1 [0,1,0,1,0,0|1,0,1]=4 346 B13R2.2931 CO[C@H]1OC(=O)C2=CC=CC=C12 CNP0262154.2 [0,1,0,1,0,0|1,0,1]=4 347 B13R2.2931 O=CC1=CN(C2=CC=CC=C12)O CNP0017728.0 [0,1,0,1,0,0|1,0,0]=3 348 B13R2.662 O=CC1=CNC2=CC(=CC=C12)Br CNP0201015.0 [0,1,0,1,0,0|1,0,0]=3 349 B13R2.662 O=CC1=CNC2=CC(=CC=C12)Cl CNP0326067.0 [0,1,0,1,0,0|1,0,0]=3 350 B13R2.662 O=CC1=CNC2=CC(=CC=C12)O CNP0296176.0 [0,1,0,1,0,0|1,0,0]=3 351 B13R2.9 CC1=CC=CC2=C1NC=C2C=O CNP0143335.0 [0,1,0,1,0,0|1,0,0]=3 352 B13R2.9 CC1=COC=C2C1=CC=C2C=O CNP0080208.0 [0,1,0,1,0,0|1,0,1]=4 353 B13R2.2136 O=CC1=CNC2=CC=C(C=C12)Br CNP0402766.0 [0,1,0,1,0,0|1,0,0]=3 354 B13R2.2136 O=CC1=CNC2=CC=C(C=C12)Cl CNP0594030.0 [0,1,0,1,0,0|1,0,0]=3 355 B13R2.2136 O=CC1=CNC2=CC=C(C=C12)O CNP0163626.0 [0,1,0,1,0,0|1,0,0]=3 356 B13R2.135 CC1=C(C2=CC=CC=C2C1)C#N CNP0036411.0 [0,1,0,1,0,0|1,0,1]=4 357 B13R2.135 CC1=C(C2=CC=CC=C2N1)C=O CNP0132549.0 [0,1,0,1,0,0|0,0,0]=2 358 B13R2.135 CC=C1C(=O)NC2=CC=CC=C12 CNP0115557.0 [0,1,0,1,0,0|0,0,0]=2 359 B13R2.135 CNC1=C(OC2=CC=CC=C12)Cl CNP0068340.0 [0,1,0,1,0,0|1,0,1]=4 360 B13R2.135 NN=C1C(=O)NC2=CC=CC=C12 CNP0373780.0 [0,1,0,1,0,0|2,0,0]=4 361 B13R2.135 O=C1NC2=CC=CC=C2C1=NO CNP0159699.0 [0,1,0,1,0,0|2,0,0]=4 362 B13R2.135 O=CC1=C(NC2=CC=CC=C12)Br CNP0015864.0 [0,1,0,1,0,0|1,0,0]=3 363 B13R2.135 O=CC1=C(NC2=CC=CC=C12)S CNP0043669.0 [0,1,0,1,0,0|1,0,0]=3 364 B13R2.135 O=CC1C(=O)CC2=CC=CC=C12 CNP0532845.0 [0,1,0,1,0,0|0,0,1]=3 365 B13R2.135 O=CC1C(=O)NC2=CC=CC=C12 CNP0400294.0 [0,1,0,1,0,0|1,0,1]=4 366 B13R2.2091 O=CC1=CNC2=CC=CC(=C12)O CNP0083873.0 [0,1,0,1,0,0|1,0,0]=3 367 B13R2.3076 CC1=C(C1(C)C2=CC=CC=C2)C CNP0518604.0 [0,1,0,1,0,0|1,0,1]=4 368 B13R2.72 CC(=O)C1=CNC2=CC=CC=C12 CNP0402989.0 [0,1,0,1,0,0|1,0,0]=3 369 B13R2.72 CC(=O)N1C=CC2=CC=CC=C12 CNP0113091.0 [0,1,0,1,0,0|1,0,1]=4 370 B13R2.72 CC(C)C1=CNC2=CC=CC=C12 CNP0247889.0 [0,1,0,1,0,0|1,0,1]=4 371 B13R2.72 NC(=O)C1=CNC2=CC=CC=C12 CNP0534194.0 [0,1,0,1,0,0|1,0,0]=3 372 B13R2.72 O=C(O)C1=C2C=CC=CC2=NC1 CNP0439159.0 [0,1,0,1,0,0|1,0,1]=4 373 B13R2.72 O=C(O)C1=CNC2=CC=CC=C12 CNP0272837.0 [0,1,0,1,0,0|1,0,0]=3 374 B13R2.72 O=C(O)C1=CSC2=CC=CC=C12 CNP0443315.0 [0,1,0,1,0,0|1,0,0]=3 375 B13R2.72 O=C(O)C1C=CC2=CC=CC=C12 CNP0085963.0 [0,1,0,1,0,0|0,0,2]=4 376 B13R2.439 NC(=O)C1(CC1)C2=CC=CC=C2 CNP0050931.0 [0,1,0,1,0,0|0,0,2]=4 377 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [1,0,0,0,1,0|1,0,1]=4 378 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [1,0,0,0,1,0|1,0,1]=4 379 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [1,0,0,0,1,0|1,0,1]=4 380 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [1,0,0,0,1,0|2,0,0]=4 381 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [1,0,0,0,1,0|2,0,0]=4 382 B9R1.11 COC(=O)C1=COC=C1 CNP0209204.0 [1,0,0,0,1,0|2,0,0]=4 383 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [1,0,0,0,1,0|2,0,0]=4 384 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [1,0,0,0,0,1|0,0,0]=2 385 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [1,0,0,0,0,1|0,0,1]=3 386 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [1,0,0,0,0,1|0,0,1]=3 387 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [1,0,0,0,0,1|0,0,1]=3 388 B11R1.40 CN(C=O)NC1=CC=CC=C1 CNP0115944.0 [1,0,0,0,0,1|1,0,0]=3 389 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [1,0,0,0,0,1|1,0,0]=3 390 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [1,0,0,0,0,1|1,0,0]=3 391 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [1,0,0,0,0,1|1,1,0]=4 392 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [1,0,0,0,0,1|0,0,1]=3 393 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [1,0,0,0,0,1|1,0,1]=4 394 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [1,0,0,0,0,1|1,0,1]=4 395 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [1,0,0,0,0,1|1,0,1]=4 396 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [1,0,0,0,0,1|1,0,1]=4 397 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [1,0,0,0,0,1|1,0,1]=4 398 B11R1.40 NNC(=O)NC1=CC=CC=C1 CNP0536638.0 [1,0,0,0,0,1|2,0,0]=4 399 B11R1.40 NOC(=O)NC1=CC=CC=C1 CNP0579392.0 [1,0,0,0,0,1|2,0,0]=4 400 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [1,0,0,0,0,1|2,0,0]=4 401 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [1,0,0,0,0,1|1,0,1]=4 402 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [1,0,0,0,0,1|1,0,0]=3 403 B11R1.852 COC(=O)C1=CC=CC=CO1 CNP0163197.0 [1,0,0,0,0,1|1,0,0]=3